input word = C00033364

Metabolite InformationStructural formula
Name Saxalin
Formula C16H15ClO5
Mw 322.0608013
CAS RN 36150-06-8
C_ID C00033364 ,
InChIKey QPHPWCUVCZXUEP-UHFFFAOYNA-N
InChICode InChI=1S/C16H15ClO5/c1-16(2,17)13(18)8-21-15-9-3-4-14(19)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,18H,8H2,1-2H3/t13-/m1/s1
SMILES c12c(c(c3c(c1)occ3)OC[C@H](C(C)(Cl)C)O)ccc(=O)o2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula syreitschikowii Ref.
PlantaeApiaceaeNiphogeton ternata Ref.
zoom in